CID 54388248

2-cyclobutylpropanal

Structural Information

Molecular Formula
C7H12O
SMILES
CC(C=O)C1CCC1
InChI
InChI=1S/C7H12O/c1-6(5-8)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKey
ODYLHYMYWNXZFD-UHFFFAOYSA-N
Compound name
2-cyclobutylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

112.08881 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 121.3
[M+Na]+ 135.078028 126.6
[M-H]- 111.081534 124.7
[M+NH4]+ 130.122633 137.5
[M+K]+ 151.051968 129.4
[M+H-H2O]+ 95.086070 111.7
[M+HCOO]- 157.087011 142.6
[M+CH3COO]- 171.102661 173.8
[M+Na-2H]- 133.063476 126.6
[M]+ 112.08826142 128.8
[M]- 112.08935858 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe